SCHEMBL7446353

SCHEMBL7446353

N#Cc1ccc(C(=O)C(C(=O)O)C2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 2/20 0.38
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7430490 0.83 POLB (0.41) GSK3BMEN1KMT2AALDH1A1LMNA
SCHEMBL7436707 0.82 GSK3B (0.43) GSK3BMEN1KMT2AATMCA1
SCHEMBL4397336 0.79 ATM (0.52) MEN1KMT2ACYP2C9ATMLMNA
SCHEMBL28431266 0.70 SMN1; SMN2 (0.47) MEN1KMT2AATMALDH1A1LMNA
SCHEMBL28438194 0.69 CYP2C9 (0.45) MEN1KMT2ACYP2C9ATMLMNA
SCHEMBL5552878 0.68 POLB (0.50) MEN1KMT2AATMLMNAL3MBTL1
SCHEMBL7435872 0.67 POLB (0.44) MEN1KMT2ACYP2C9MAPK1ALDH1A1
SCHEMBL9242929 0.67 GRM2 (0.56) MEN1KMT2ACYP2C9ATMLMNA
SCHEMBL9016791 0.67 ATM (0.49) MEN1KMT2ACYP2C9ATMLMNA
SCHEMBL29591768 0.67 CYP2C9 (0.49) MEN1KMT2ACYP2C9ATMLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891899-A Pharmaceutical xanthene compounds ELI LILLY AND COMPANY LIMITED (GB) 1999-04-06 US disclosed
EP-0849263-A2 Pharmaceutical substituted propanoic acid derivatives ELI LILLY AND COMPANY LIMITED (GB) 1998-06-24 EP disclosed